2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate

C26H40N2O10 — CID 145163136

About 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate

2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate (PubChem CID 145163136) has the molecular formula C26H40N2O10 and a molecular weight of 540.61 g/mol. Its IUPAC name is 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate
• PubChem CID: 145163136
• Molecular Formula: C26H40N2O10
• Molecular Weight: 540.61 g/mol
• Exact Mass: 540.27
• IUPAC Name: 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate
• SMILES: C=CC(=O)OCCOCCOC(=O)NCCC1CC2CC1CC2CNC(=O)OCCOCCOC(=O)C=C
• InChI: InChI=1S/C26H40N2O10/c1-3-23(29)35-11-7-33-9-13-37-25(31)27-6-5-19-15-21-16-20(19)17-22(21)18-28-26(32)38-14-10-34-8-12-36-24(30)4-2/h3-4,19-22H,1-2,5-18H2,(H,27,31)(H,28,32)
• InChIKey: HAVPPIDIIDUADJ-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 147.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.61
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate (CID 145163136) is 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC(=O)NCCC1CC2CC1CC2CNC(=O)OCCOCCOC(=O)C=C.

What is the InChIKey of 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate?

The InChIKey is HAVPPIDIIDUADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O10/c1-3-23(29)35-11-7-33-9-13-37-25(31)27-6-5-19-15-21-16-20(19)17-22(21)18-28-26(32)38-14-10-34-8-12-36-24(30)4-2/h3-4,19-22H,1-2,5-18H2,(H,27,31)(H,28,32).

What are the key properties of 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate?

2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 540.61 g/mol, XLogP of 1.98, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 145163136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).